SCHEMBL2755035

SCHEMBL2755035

CCCCCCCCCCCCCC(=O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 4/20 0.64
▸ MEN1 O00255 1/20 0.59
▸ FAAH O00519 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ CES1 P23141 3/20 0.56
▸ GPR84 Q9NQS5 2/20 0.54
▸ PPARG P37231 2/20 0.54
▸ PPARD Q03181 2/20 0.54
▸ PPARA Q07869 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ SLC22A6 Q4U2R8 1/20 0.54
▸ SLC22A8 Q8TCC7 1/20 0.54
▸ TLR2 O60603 1/20 0.54
▸ HDAC11 Q96DB2 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13385643 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL1535502 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL14769719 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL23950236 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL21448801 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL23950131 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL23950441 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL23950237 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL14769720 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL8895624 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3000469-B1 STEROIDAL NITRONES FOR THE TREATMENT AND PREVENTION OF A CEREBRAL STROKE OR ISCHAEMIA, ALZHEIMER AND PARKINSON DISEASE AND AMYOTROPHIC LATERAL SCLEROSIS FUNDACION PARA LA INVESTIGACION BIOMEDICA DEL HOSPITAL UNIV RAMON Y CAJAL (ES) 2019-03-13 — — EP claimed
CN-108026131-A POLYMER-CYCLODEXTRIN-LIPID CONJUGATES 吴念 2018-05-11 — — CN claimed
US-20230357140-A1 TES-BASED CATIONIC LIPIDS TRANSLATE BIO, INC. 2023-11-09 — — US disclosed
US-11718637-B2 Prodrugs of 4′-C-substituted-2-halo-2′- deoxyadenosine nucleosides and methods of making and using the same GILEAD SCIENCES, INC. (US) 2023-08-08 — — US disclosed
US-20210346507-A1 GEMCITABINE PRODRUGS CURE BIOPHARMA INC. 2021-11-11 — — US disclosed
US-20210323992-A1 GEMCITABINE PRODRUGS CURE BIOPHARMA INC. 2021-10-21 — — US disclosed
US-10947271-B2 Antibacterial agents THE UNIVERSITY OF QUEENSLAND (AU) 2021-03-16 — — US disclosed
WO-2020061284-A1 PEG LIPIDS AND USES THEREOF MODERNATX, INC. (US) 2020-03-26 — — WO disclosed
US-10544154-B2 Opioid receptor antagonist prodrugs NIRSUM LABORATORIES, INC. (US) 2020-01-28 — — US disclosed
US-20190308989-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS NIRSUM LABORATORIES, INC. 2019-10-10 — — US disclosed
US-20190307743-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS NIRSUM LABORATORIES, INC. 2019-10-10 — — US disclosed
US-20120219617-A1 MUC1 Based Glycolipopeptide Vaccine with Adjuvant ONCOTHYREON INC. (US) 2012-08-30 — — US disclosed
US-20120219617-A1 MUC1 Based Glycolipopeptide Vaccine with Adjuvant ONCOTHYREON INC. (US) 2012-08-30 — — US disclosed
US-8097593-B1 Lipid A and other carbohydrate ligand analogs ONCOTHYREON INC. (US) 2012-01-17 — — US disclosed
US-20120003295-A1 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS ONCOTHYREON INC. (US) 2012-01-05 — — US disclosed
US-20120003295-A1 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS ONCOTHYREON INC. (US) 2012-01-05 — — US disclosed
US-7820627-B2 Lipid A and other carbohydrate ligand analogs ONCOTHYREON INC. (US) 2010-10-26 — — US disclosed
US-7820627-B2 Lipid A and other carbohydrate ligand analogs ONCOTHYREON INC. (US) 2010-10-26 — — US disclosed
EP-1549322-B1 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS ONCOTHYREON INC (US) 2010-02-17 — — EP disclosed
WO-1997030950-A1 IMPROVED ORGANOCLAY COMPOSITIONS SOUTHERN CLAY PRODUCTS, INC. (US) 1997-08-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120003295-A1 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS SELPLG, STT3A, LY96 CES2 2057/4885MEN1 4478/4885FAAH 1131/4885
US-20190308989-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS OPRM1, OPRK1, OPRL1 CES2 241/4885MEN1 4879/4885FAAH 239/4885
US-20190307743-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS OPRM1, OPRK1, OPRL1 CES2 241/4885MEN1 4879/4885FAAH 239/4885
US-20210323992-A1 GEMCITABINE PRODRUGS TYMP, PIK3CA, DCK CES2 2830/4885MEN1 2740/4885FAAH 3969/4885
US-10544154-B2 Opioid receptor antagonist prodrugs OPRM1, OPRK1, OPRL1 CES2 241/4885MEN1 4879/4885FAAH 239/4885
US-11718637-B2 Prodrugs of 4′-C-substituted-2-halo-2′- deoxyadenosine nucleosides and methods of making and using the same DCTD, MTAP, ADA CES2 73/4885MEN1 4076/4885FAAH 2357/4885
US-20230357140-A1 TES-BASED CATIONIC LIPIDS CETP, NPC1L1, NPC1 CES2 326/4885MEN1 1645/4885FAAH 3353/4885
US-20120219617-A1 MUC1 Based Glycolipopeptide Vaccine with Adjuvant MUC1, LGALS3BP, ST3GAL3 CES2 4767/4885MEN1 670/4885FAAH 2195/4885
US-10947271-B2 Antibacterial agents VNN1, ASNS, AAAS CES2 3149/4885MEN1 3291/4885FAAH 2442/4885
US-20210346507-A1 GEMCITABINE PRODRUGS TYMP, PIK3CA, DCK CES2 2830/4885MEN1 2740/4885FAAH 3969/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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